2-(1-phenacylpyridin-1-ium-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-phenacylpyridin-1-ium-4-yl)sulfanylethanoic acid Openeye Name: 2-(1-phenacylpyridin-1-ium-4-yl)sulfanylacetic acid CAS Name: 2-[(1-phenacyl-4-pyridin-1-iumyl)thio]acetic acid IUPAC Name: 2-(1-phenacylpyridin-1-ium-4-yl)sulfanylacetic acid Traditional Name: 2-[(1-phenacylpyridin-1-ium-4-yl)thio]acetic acid Formula: C15H14NO3S+ MolecularWeight: 288.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)SCC(=O)O

InChI

InChI=1S/C15H13NO3S/c17-14(12-4-2-1-3-5-12)10-16-8-6-13(7-9-16)20-11-15(18)19/h1-9H,10-11H2/p+1